7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine

C12H17N3O3 — CID 90001666

IUPAC7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine
SMILESCC1(C)COc2c(ncnc2N2CCOCC2)O1
InChIInChI=1S/C12H17N3O3/c1-12(2)7-17-9-10(13-8-14-11(9)18-12)15-3-5-16-6-4-15/h8H,3-7H2,1-2H3
InChIKeyCNLPGAHXKJAMKF-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.86
Rot. Bonds1

About 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine

7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine (PubChem CID 90001666) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine.

Molecular Properties

Compound Name7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine
PubChem CID90001666
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine
SMILESCC1(C)COc2c(ncnc2N2CCOCC2)O1
InChIInChI=1S/C12H17N3O3/c1-12(2)7-17-9-10(13-8-14-11(9)18-12)15-3-5-16-6-4-15/h8H,3-7H2,1-2H3
InChIKeyCNLPGAHXKJAMKF-UHFFFAOYSA-N
XLogP0.86
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-Chloro-4-morpholin-4-yl-7-trifluoromethyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
CID 86711749
(7S)-2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
CID 129409060
(7R)-2-chloro-4-morpholin-4-yl-7-(trifluoromethyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
CID 129409061
2-Ethenyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
CID 17983173
4,5,6-Triethoxypyrimidine
CID 18761898
4,5,6-Tris[(2-methylpropan-2-yl)oxy]pyrimidine
CID 18761963
N,2-di(propan-2-yl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
CID 20604249
5-Methoxy-4,6-bis[(1-methylpiperidin-4-yl)oxy]pyrimidine
CID 56983160
2-(2,2-Dimethylpropyl)-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidine
CID 58602745
2-ethyl-N-propan-2-yl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
CID 58754700
2-butan-2-yl-N-methyl-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-4-amine
CID 68340409
5-[(6R)-6-methyl-4-morpholino-6,7-dihydro-[1,4]dioxino[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 73425617

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine?
The IUPAC name of 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine (CID 90001666) is 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine.
What is the SMILES notation for 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine?
The canonical SMILES for 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine is CC1(C)COc2c(ncnc2N2CCOCC2)O1.
What is the InChIKey of 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine?
The InChIKey is CNLPGAHXKJAMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2)7-17-9-10(13-8-14-11(9)18-12)15-3-5-16-6-4-15/h8H,3-7H2,1-2H3.
What are the key properties of 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine?
7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine has a molecular weight of 251.29 g/mol, XLogP of 0.86, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-4-morpholin-4-yl-6H-[1,4]dioxino[2,3-d]pyrimidine is sourced from PubChem (CID 90001666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).